4-chloro-6,8-difluoro-2-methylquinoline

• ChemBase ID: 309571
• Molecular Formular: C10H6ClF2N
• Molecular Mass: 213.6111464
• Monoisotopic Mass: 213.01568332
• SMILES: c12c(nc(cc1Cl)C)c(cc(c2)F)F
• Canonical SMILES: Fc1cc(F)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C10H6ClF2N/c1-5-2-8(11)7-3-6(12)4-9(13)10(7)14-5/h2-4H,1H3
• InChIKey: AFFPXAYTKXVJTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,8-difluoro-2-methylquinoline
• IUPAC Traditional name: 4-chloro-6,8-difluoro-2-methylquinoline
• Synonyms: 4-chloro-6,8-difluoro-2-methylquinoline

Database IDs

• CAS Number: 288151-31-5
• MDL Number: MFCD11501277

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.151714
• LogD (pH = 7.4): 3.151719
• Log P: 3.151719
• Molar Refractivity: 49.8084 cm^3
• Polarizability: 19.944628 Å^3
• Polar Surface Area: 12.89 Å^2